N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methyl-N-(2-morpholin-4-ylethyl)butanamide

C29H42N6O5 — CID 46147796

About N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methyl-N-(2-morpholin-4-ylethyl)butanamide

N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methyl-N-(2-morpholin-4-ylethyl)butanamide (PubChem CID 46147796) has the molecular formula C29H42N6O5 and a molecular weight of 554.69 g/mol. Its IUPAC name is N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methyl-N-(2-morpholin-4-ylethyl)butanamide.

Molecular Properties

• Compound Name: N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methyl-N-(2-morpholin-4-ylethyl)butanamide
• PubChem CID: 46147796
• Molecular Formula: C29H42N6O5
• Molecular Weight: 554.69 g/mol
• Exact Mass: 554.32
• IUPAC Name: N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methyl-N-(2-morpholin-4-ylethyl)butanamide
• SMILES: COc1ccc(-c2ccc(N3CCN(C(=O)CN(CCN4CCOCC4)C(=O)CC(C)C)CC3)nn2)c(OC)c1
• InChI: InChI=1S/C29H42N6O5/c1-22(2)19-28(36)35(10-9-32-15-17-40-18-16-32)21-29(37)34-13-11-33(12-14-34)27-8-7-25(30-31-27)24-6-5-23(38-3)20-26(24)39-4/h5-8,20,22H,9-19,21H2,1-4H3
• InChIKey: NHRMOXPMKDNLGX-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 100.57 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.69
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methyl-N-(2-morpholin-4-ylethyl)butanamide?

The IUPAC name of N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methyl-N-(2-morpholin-4-ylethyl)butanamide (CID 46147796) is N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methyl-N-(2-morpholin-4-ylethyl)butanamide.

What is the SMILES notation for N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methyl-N-(2-morpholin-4-ylethyl)butanamide?

The canonical SMILES for N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methyl-N-(2-morpholin-4-ylethyl)butanamide is COc1ccc(-c2ccc(N3CCN(C(=O)CN(CCN4CCOCC4)C(=O)CC(C)C)CC3)nn2)c(OC)c1.

What is the InChIKey of N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methyl-N-(2-morpholin-4-ylethyl)butanamide?

The InChIKey is NHRMOXPMKDNLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N6O5/c1-22(2)19-28(36)35(10-9-32-15-17-40-18-16-32)21-29(37)34-13-11-33(12-14-34)27-8-7-25(30-31-27)24-6-5-23(38-3)20-26(24)39-4/h5-8,20,22H,9-19,21H2,1-4H3.

What are the key properties of N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methyl-N-(2-morpholin-4-ylethyl)butanamide?

N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methyl-N-(2-morpholin-4-ylethyl)butanamide has a molecular weight of 554.69 g/mol, XLogP of 2.02, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-3-methyl-N-(2-morpholin-4-ylethyl)butanamide is sourced from PubChem (CID 46147796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).